CID 11298947

397246-12-7

Structural Information

Molecular Formula
C10H21NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CCCO)CO
InChI
InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m1/s1
InChIKey
UBNNKNSFDFANKW-MRVPVSSYSA-N
Compound name
tert-butyl N-[(2R)-1,5-dihydroxypentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15434 153.4
[M+Na]+ 242.13628 157.5
[M-H]- 218.13978 150.4
[M+NH4]+ 237.18088 170.3
[M+K]+ 258.11022 157.2
[M+H-H2O]+ 202.14432 148.4
[M+HCOO]- 264.14526 171.5
[M+CH3COO]- 278.16091 186.1
[M+Na-2H]- 240.12173 155.8
[M]+ 219.14651 154.5
[M]- 219.14761 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe